Information card for entry 7027773

Structure parameters

• Formula: C37 H32 Co O6 P S2 W
• Calculated formula: C37 H32 Co O6 P S2 W
• SMILES: [W]1234567([Co]8([P](Sc9ccccc9)(c9ccccc9)c9ccccc9)([S]1c1ccccc1)(C#[O])[CH](C(OC)=[O]7)=[C]68C(=O)OC)([cH]1[cH]5[cH]4[cH]3[cH]21)C#[O]
• Title of publication: The formation and transformation of metallacycles containing phosphorus or sulfur on molybdenum‒ or tungsten‒cobalt mixed-metal backbones ‡
• Authors of publication: King, Jason D.; Mays, Martin J.; Pateman, Giles E.; Raithby, Paul R.; Rennie, Moira A.; Solan, Gregory A.; Choi, Nick; Conole, Gráinne; McPartlin, Mary
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 4447
• a: 9.555 ± 0.002 Å
• b: 10.419 ± 0.002 Å
• c: 19.358 ± 0.004 Å
• α: 76.22 ± 0.03°
• β: 76.57 ± 0.03°
• γ: 73.19 ± 0.03°
• Cell volume: 1763.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.1078
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No